4-(3-tert-butylazulen-1-yl)-2,6-diphenyl-pyrylium perchlorate

Systemtic Name: 4-(3-tert-butylazulen-1-yl)-2,6-diphenyl-pyrylium perchlorate Openeye Name: 4-(3-tert-butylazulen-1-yl)-2,6-diphenyl-pyrylium perchlorate CAS Name: 4-(3-tert-butyl-1-azulenyl)-2,6-diphenylpyrylium perchlorate IUPAC Name: 4-(3-tert-butylazulen-1-yl)-2,6-diphenylpyrylium perchlorate Traditional Name: 4-(3-tert-butylazulen-1-yl)-2,6-diphenyl-pyrylium perchlorate Formula: C31H27ClO5 MolecularWeight: 514.99608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=CC=CC=C2C(=C1)C3=CC(=[O+]C(=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=C2C=CC=CC=C2C(=C1)C3=CC(=[O+]C(=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H27O.ClHO4/c1-31(2,3)28-21-27(25-17-11-6-12-18-26(25)28)24-19-29(22-13-7-4-8-14-22)32-30(20-24)23-15-9-5-10-16-23;2-1(3,4)5/h4-21H,1-3H3;(H,2,3,4,5)/q+1;/p-1